N-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C22H40N4O2 — CID 167348686

IUPACN-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCCC2CC(C(=O)NC(CCC(=O)N(C)C)C3NCCCC3C)NC12
InChIInChI=1S/C22H40N4O2/c1-14-7-5-9-16-13-18(24-20(14)16)22(28)25-17(10-11-19(27)26(3)4)21-15(2)8-6-12-23-21/h14-18,20-21,23-24H,5-13H2,1-4H3,(H,25,28)
InChIKeyPYCNMSXGTDJPJM-UHFFFAOYSA-N
MW392.59 g/mol
LogP1.89
Rot. Bonds6

About N-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 167348686) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is N-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID167348686
Molecular FormulaC22H40N4O2
Molecular Weight392.59 g/mol
Exact Mass392.32
IUPAC NameN-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCCC2CC(C(=O)NC(CCC(=O)N(C)C)C3NCCCC3C)NC12
InChIInChI=1S/C22H40N4O2/c1-14-7-5-9-16-13-18(24-20(14)16)22(28)25-17(10-11-19(27)26(3)4)21-15(2)8-6-12-23-21/h14-18,20-21,23-24H,5-13H2,1-4H3,(H,25,28)
InChIKeyPYCNMSXGTDJPJM-UHFFFAOYSA-N
XLogP1.89
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 148599613
N-[cyclopropyl-(3-ethylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348549
4-fluoro-7-methyl-N-[1-(3-methylpiperidin-2-yl)-2-(1-methylpyrazolidin-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167380452
7-methyl-N-[1-(1-methylpyrazolidin-3-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 147438079
N-[(1S)-1-(2-chlorocyclohexyl)ethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 146759780
7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167380536
N-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348826
N,N-dimethyl-2-(3-methylpiperidin-2-yl)acetamide
CID 107147512
N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119303011
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 153043187
7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348569
(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824348

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 167348686) is N-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC1CCCC2CC(C(=O)NC(CCC(=O)N(C)C)C3NCCCC3C)NC12.
What is the InChIKey of N-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is PYCNMSXGTDJPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O2/c1-14-7-5-9-16-13-18(24-20(14)16)22(28)25-17(10-11-19(27)26(3)4)21-15(2)8-6-12-23-21/h14-18,20-21,23-24H,5-13H2,1-4H3,(H,25,28).
What are the key properties of N-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 392.59 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 167348686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).